6-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]quinoline-3-carbonitrile

Systemtic Name: 6-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]quinoline-3-carbonitrile Openeye Name: 6-methoxy-2-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]quinoline-3-carbonitrile CAS Name: 6-methoxy-2-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]quinoline-3-carbonitrile Traditional Name: 6-methoxy-2-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]quinoline-3-carbonitrile Formula: C21H22N5O+ MolecularWeight: 360.43228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C21H21N5O/c1-27-19-5-6-20-16(13-19)12-17(14-22)21(24-20)26-10-8-25(9-11-26)15-18-4-2-3-7-23-18/h2-7,12-13H,8-11,15H2,1H3/p+1